Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12366402 | 0.92 | RIPK1 (0.42) | CYP2C9KDM1ARIPK1HTR2AHTR2C | |
| SCHEMBL15445797 | 0.92 | RIPK1 (0.42) | CYP2C9KDM1ARIPK1HTR2AHTR2C | |
| SCHEMBL28700888 | 0.92 | RIPK1 (0.42) | CYP2C9KDM1ARIPK1HTR2AHTR2C | |
| SCHEMBL9924906 | 0.89 | CYP2C9 (0.41) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9925057 | 0.89 | CYP2C9 (0.38) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL21609913 | 0.89 | CYP2C9 (0.42) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL22277327 | 0.89 | CYP2C9 (0.42) | CYP2C9ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL12735769 | 0.88 | CNR2 (0.37) | CYP2C9RIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL12740619 | 0.88 | CNR2 (0.37) | CYP2C9RIPK1HTR2AHTR2CHTR2B | |
| SCHEMBL8448300 | 0.87 | RIPK1 (0.39) | CYP2C9ALDH1A1MAPTKDM1ARIPK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200239775-A1 | TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2020-07-30 | — | — | US | disclosed |